methyl 4-methyl-3-[2-[(E)-3-phenylsulfanylprop-2-enoyl]oxyethanoylamino]benzoate

Systemtic Name: methyl 4-methyl-3-[2-[(E)-3-phenylsulfanylprop-2-enoyl]oxyethanoylamino]benzoate Openeye Name: methyl 4-methyl-3-[[2-[(E)-3-phenylsulfanylprop-2-enoyl]oxyacetyl]amino]benzoate CAS Name: 4-methyl-3-[[1-oxo-2-[(E)-1-oxo-3-(phenylthio)prop-2-enoxy]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[[2-[(E)-3-phenylsulfanylprop-2-enoyl]oxyacetyl]amino]benzoate Traditional Name: 4-methyl-3-[[2-[(E)-3-(phenylthio)acryloyl]oxyacetyl]amino]benzoic acid methyl ester Formula: C20H19NO5S MolecularWeight: 385.43356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)COC(=O)C=CSC2=CC=CC=C2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)COC(=O)/C=C/SC2=CC=CC=C2

InChI

InChI=1S/C20H19NO5S/c1-14-8-9-15(20(24)25-2)12-17(14)21-18(22)13-26-19(23)10-11-27-16-6-4-3-5-7-16/h3-12H,13H2,1-2H3,(H,21,22)/b11-10+